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101085-21-6 | 2-Propenamide, 3-(4-bromophenyl)-2-cyano-
CAS No: 101085-21-6 Catalog No: AG0003QA MDL No:
Product Description
Catalog Number:
AG0003QA
Chemical Name:
2-Propenamide, 3-(4-bromophenyl)-2-cyano-
CAS Number:
101085-21-6
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
IUPAC Name:
(E)-3-(4-bromophenyl)-2-cyanoprop-2-enamide
InChI:
InChI=1S/C10H7BrN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChI Key:
JTTTWTYPKBLSRW-VMPITWQZSA-N
SMILES:
N#CC(=Cc1ccc(cc1)Br)C(=O)N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Arylcyanoacrylamides as inhibitors of the Dengue and West Nile virus proteases. | Bioorganic & medicinal chemistry 20111215 |
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